[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate

C21H19FN2O6S — CID 2550017

IUPAC[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
SMILESCc1ccc(NC(=O)COC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1F
InChIInChI=1S/C21H19FN2O6S/c1-14-4-7-16(11-19(14)22)24-20(25)13-30-21(26)15-5-8-18(9-6-15)31(27,28)23-12-17-3-2-10-29-17/h2-11,23H,12-13H2,1H3,(H,24,25)
InChIKeyFCYGRBIOELPGJO-UHFFFAOYSA-N
MW446.46 g/mol
LogP3.00
Rot. Bonds8

About [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate

[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate (PubChem CID 2550017) has the molecular formula C21H19FN2O6S and a molecular weight of 446.46 g/mol. Its IUPAC name is [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate.

Molecular Properties

Compound Name[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
PubChem CID2550017
Molecular FormulaC21H19FN2O6S
Molecular Weight446.46 g/mol
Exact Mass446.09
IUPAC Name[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
SMILESCc1ccc(NC(=O)COC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1F
InChIInChI=1S/C21H19FN2O6S/c1-14-4-7-16(11-19(14)22)24-20(25)13-30-21(26)15-5-8-18(9-6-15)31(27,28)23-12-17-3-2-10-29-17/h2-11,23H,12-13H2,1H3,(H,24,25)
InChIKeyFCYGRBIOELPGJO-UHFFFAOYSA-N
XLogP3.00
TPSA114.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.46
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate with MolForge

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Related Compounds

[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2118591
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 16526843
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2409383
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 16526906
2-oxopropyl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 3292841
[2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2550208
N-(3,4-difluorophenyl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 9165761
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2418521
[2-(3,4-difluoroanilino)-2-oxoethyl] 4-(ethylsulfamoyl)benzoate
CID 7429496
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 4-(methylsulfonylmethyl)benzoate
CID 7752801
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 4-(trifluoromethoxy)benzoate
CID 7796392
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 16526919

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate?
The IUPAC name of [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate (CID 2550017) is [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate.
What is the SMILES notation for [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate?
The canonical SMILES for [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate is Cc1ccc(NC(=O)COC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1F.
What is the InChIKey of [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate?
The InChIKey is FCYGRBIOELPGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O6S/c1-14-4-7-16(11-19(14)22)24-20(25)13-30-21(26)15-5-8-18(9-6-15)31(27,28)23-12-17-3-2-10-29-17/h2-11,23H,12-13H2,1H3,(H,24,25).
What are the key properties of [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate?
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate has a molecular weight of 446.46 g/mol, XLogP of 3.00, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate is sourced from PubChem (CID 2550017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).